2,6-Dibromo-4,4-bis(2-ethylhexyl)-4H-cyclopenta[1,2-b:5,4-b']dithiophene


Chemical Name: 2,6-Dibromo-4,4-bis(2-ethylhexyl)-4H-cyclopenta[1,2-b:5,4-b']dithiophene
CAS Number: 365547-21-3
Product Number: AG00CAUB(AGN-PC-0HUTCL)
Synonyms:
MDL No:
Molecular Formula: C25H36Br2S2
Molecular Weight: 560.4913

Identification/Properties


Computed Properties
Molecular Weight:
560.491g/mol
XLogP3:
12.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
12
Exact Mass:
560.06g/mol
Monoisotopic Mass:
558.063g/mol
Topological Polar Surface Area:
56.5A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
455
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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